2-(4,5,6,7-Tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl)acetate | 926248-27-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-(4,5,6,7-Tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl)acetate
• CAS: 926248-27-3
• 化学式: C9H11NO2S
• mdl: MFCD09042600
• 分子量: 197.26
• InChiKey: NDXRNFGHRDRBGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.444
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• [EN] MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS AND USES THEREOF<br/>[FR] CONJUGUÉS DISULFURE MIXTES DE COMPOSÉS DE THIÉNOPYRIDINE ET LEURS UTILISATIONS
  申请人：UNIV MICHIGAN

  公开号：WO2014109987A1

  公开（公告）日：2014-07-17

  This invention is in the field of medicinal chemistry. In particular, the invention relates to mixed disulfide conjugates of thienopyridine compounds, and their use as therapeutics for the treatment, amelioration, and prevention of cardiovascular diseases.

  这项发明属于药物化学领域。具体而言，该发明涉及噻唑吡啶化合物的混合二硫醚共轭物，并将其用作治疗、改善和预防心血管疾病的治疗剂。
• Process for preparing enantiomerically pure alpha phenyl-alpha (6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl)-acetic acid derivatives
  申请人：Arul Ramakrishna

  公开号：US20050049415A1

  公开（公告）日：2005-03-03

  A process for preparing a substantially enantiomerically pure compound of formula (IV), or a pharmaceutically acceptable salt thereof wherein: R is hydrogen or a Cl alkyl group and X, Y and Z are any atom or group, comprising a step of isolating a substantially enantiomerically pure compound of formula (V) wherein: R 3 is CN or C(O)NR 1 R 2 and R 1 and R 2 are each independently hydrogen or a C 1 -C 4 alkyl group, or, together with the nitrogen in the C(O)NR 1 R 2 group, form a ring that includes 2-6 carbon atoms, from a racemate of formula (V) and converting the substantially enantiomerically pure compound of formula (V) into a substantially enantiomerically pure compound of formula (IV).

  一种制备公式（IV）的基本对映体纯化化合物或其药学上可接受的盐的方法，其中：R为氢或Cl烷基，X、Y和Z为任意原子或基团，包括从公式（V）的基本对映体纯化化合物中分离出一步，其中：R3是CN或C（O）NR1R2，R1和R2分别独立地是氢或C1-C4烷基，或者与C（O）NR1R2中的氮一起形成包括2-6个碳原子的环，从公式（V）的外消旋体转化为公式（IV）的基本对映体纯化化合物。
• A PROCESS FOR PREPARING ENANTIOMERICALLY PURE ALPHA-PHENYL-APLPHA(6,7-DIHYDRO-4H-THIENO 3,2-C PYRIDIN-5-YL)-ACETIC ACID DERIVATIVES
  申请人：Merck Generics (UK) Limited

  公开号：EP1438314A1

  公开（公告）日：2004-07-21
• MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS AND USES THEREOF
  申请人：The Regents of The University of Michigan

  公开号：EP2943482A1

  公开（公告）日：2015-11-18
• [EN] A PROCESS FOR PREPARING ENANTIOMERICALLY PURE alpha -PHENYL- alpha -(6,7-DIHYDRO-4H-THIENO[3,2-C]PYRIDIN-5-YL)-ACETIC ACID DERIVATIVES<br/>[FR] PROCEDE DE PREPARATION DE DERIVES D'ACIDE DOLLAR G(A)-PHENYL- DOLLAR G(A)-(6,7-DIHYDRO-4H-THIENO[3,2-C]PYRIDIN-5-YL) ACETIQUE ENANTIOMERIQUEMENT PURS
  申请人：MERCK GENERICS UK LTD

  公开号：WO2003035652A1

  公开（公告）日：2003-05-01

  A process for preparing a substantially enantiomerically pure compound of formula (IV), or a pharmaceutically acceptable salt thereof wherein: R is hydrogen or a C1-C4 alkyl group and X, Y and Z are any atom or group, comprising a step of isolating a substantially enantiomerically pure compound of formula (V) wherein: R3 is CN or C(O)NR1R2 and R1 and R2 are each independently hydrogen or a C1-C4 alkyl group, or, together with the nitrogen in the C(O)NR1R2 group, form a ring that includes 2-6 carbon atoms, from a racemate of formula (V) and converting the substantially enantiomerically pure compound of formula (V) into a substantially enantiomerically pure compound of formula (IV).